Geometry & MOs

Info

ID:	336080
PubChem CID:	127255087
Reduced:	ON8C18H24 (1)
Stoich.:	AB8C18D24 (1)
Weight, g/mol:	260.163711
ΔH_f, kcal/mol:	85.56
Dipole, Da:	8.91
IP(EA), eV:	-9.4(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethylpyrrol-1-yl)-N-(3-imidazol-1-ylpropyl)acetamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N1CCCC(C1)C2=NN=C3N2C=CC=C3)N4C=NN=N4

DOS

IR

Vibrations